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BDBM50163745 4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)::4-((E)-2-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]isoxazol-5-yl}vinyl)-2-methoxyphenol::4-(-2-(5-(4-hydroxy-3-methoxystyryl)isoxazol-3-yl)vinyl)-2-methoxyphenol::4-(2-(5-(4-hydroxy-3-methoxystyryl)isoxazol-3-yl)vinyl)-2-methoxyphenol::CHEMBL181529

SMILES: COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O

InChI Key: InChIKey=MRBBFOWSPXHYQT-FCXRPNKRSA-N

Data: 5 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50163745   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CAMK2A


(Homo sapiens)
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs


Bioorg Med Chem 20: 6040-7 (2012)

More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 1.14E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min


Bioorg Med Chem 20: 6040-7 (2012)

More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 2.44E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min


Bioorg Med Chem 20: 6040-7 (2012)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 1.07E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4


Bioorg Med Chem Lett 15: 1793-7 (2005)

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/an/an/a 1.16E+4n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/an/an/a 1.18E+4n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/an/an/a 3.16E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)

More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 680n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...


Bioorg Med Chem 20: 6040-7 (2012)

More data for this
Ligand-Target Pair